PubChemLite - 103255-84-1 (C26H25ClN4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC2=C1C=CC(=N2)N3C(C4=CC=CC=C4C3=O)CC(=O)N5CCC6(CC5)OCCO6)Cl

InChI

InChI=1S/C26H25ClN4O4/c1-16-14-21(27)28-24-17(16)6-7-22(29-24)31-20(18-4-2-3-5-19(18)25(31)33)15-23(32)30-10-8-26(9-11-30)34-12-13-35-26/h2-7,14,20H,8-13,15H2,1H3

InChIKey

LZJOHKHHFOSHGG-UHFFFAOYSA-N

Compound name

2-(7-chloro-5-methyl-1,8-naphthyridin-2-yl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3H-isoindol-1-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	493.16371	218.7
[M+Na]+	515.14565	226.3
[M-H]-	491.14915	227.7
[M+NH4]+	510.19025	225.4
[M+K]+	531.11959	221.3
[M+H-H2O]+	475.15369	206.5
[M+HCOO]-	537.15463	221.6
[M+CH3COO]-	551.17028	225.1
[M+Na-2H]-	513.13110	213.4
[M]+	492.15588	219.2
[M]-	492.15698	219.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.16371

218.7

[M+Na]+

515.14565

226.3

[M-H]-

491.14915

227.7

[M+NH4]+

510.19025

225.4

[M+K]+

531.11959

221.3

[M+H-H2O]+

475.15369

206.5

[M+HCOO]-

537.15463

221.6

[M+CH3COO]-

551.17028

225.1

[M+Na-2H]-

513.13110

213.4

[M]+

492.15588

219.2

[M]-

492.15698

219.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

103255-84-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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